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Bis(2-Methoxyethyl)Amine
CAS: 111-95-5 | C6H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-95-5
Molecular Formula:
C6H15NO2
Molecular Weight:
133.191 g/mol
Names and Synonyms:
Bis(2-Methoxyethyl)Amine
Diethylamine, 2,2′-dimethoxy-
NSC 78431
Di(2-methoxyethyl)amine
N,N-Bis(2-methoxyethyl)amine
Bis(2-methoxyethyl)amine
2,2′-Dimethoxydiethylamine
2-Methoxy-N-(2-methoxyethyl)ethanamine
Ethanamine, 2-methoxy-N-(2-methoxyethyl)-
Identifiers:
SMILES:
COCCNCCOC
InChI:
InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.191 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.11027872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 30.49 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.1312000000000002 | RDKit |
| molecular_mass | 133.19 g/mol | Legacy Database |
| cas-boiling-point | 169-170 °C None | Legacy Database |
| cas-canonical-smile | O(C)CCNCCOC None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IBZKBSXREAQDTO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bis(2-methoxyethyl)amine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.621700000000004 | RDKit |
